3,3-difluoro-1-methylpyrrolidine;1,3-dimethylazetidine;1,4-dimethylcyclohexane;1,2-dimethylimidazole;1,5-dimethylimidazole;1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrole;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;2,4-dimethyl-1,3-thiazole;3-fluoro-1-methylpyrrolidine;1-methylazetidine;1-methylimidazole;2-methyl-1H-imidazole;4-methylmorpholine;2-methyl-1,3-oxazole;1-methylpiperidine;2-methylpyridine;4-methylpyridine;1-methylpyrrolidine;2-methyl-1,3-thiazole;toluene;N,N,4-trimethylcyclohexan-1-amine;2,4,6-trimethylpyridine;1,3,3-trimethylpyrrolidine

C155H281F3N30O2S2 — CID 160631338

About 3,3-difluoro-1-methylpyrrolidine;1,3-dimethylazetidine;1,4-dimethylcyclohexane;1,2-dimethylimidazole;1,5-dimethylimidazole;1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrole;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;2,4-dimethyl-1,3-thiazole;3-fluoro-1-methylpyrrolidine;1-methylazetidine;1-methylimidazole;2-methyl-1H-imidazole;4-methylmorpholine;2-methyl-1,3-oxazole;1-methylpiperidine;2-methylpyridine;4-methylpyridine;1-methylpyrrolidine;2-methyl-1,3-thiazole;toluene;N,N,4-trimethylcyclohexan-1-amine;2,4,6-trimethylpyridine;1,3,3-trimethylpyrrolidine

3,3-difluoro-1-methylpyrrolidine;1,3-dimethylazetidine;1,4-dimethylcyclohexane;1,2-dimethylimidazole;1,5-dimethylimidazole;1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrole;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;2,4-dimethyl-1,3-thiazole;3-fluoro-1-methylpyrrolidine;1-methylazetidine;1-methylimidazole;2-methyl-1H-imidazole;4-methylmorpholine;2-methyl-1,3-oxazole;1-methylpiperidine;2-methylpyridine;4-methylpyridine;1-methylpyrrolidine;2-methyl-1,3-thiazole;toluene;N,N,4-trimethylcyclohexan-1-amine;2,4,6-trimethylpyridine;1,3,3-trimethylpyrrolidine (PubChem CID 160631338) has the molecular formula C155H281F3N30O2S2 and a molecular weight of 2718.29 g/mol. Its IUPAC name is 3,3-difluoro-1-methylpyrrolidine;1,3-dimethylazetidine;1,4-dimethylcyclohexane;1,2-dimethylimidazole;1,5-dimethylimidazole;1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrole;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;2,4-dimethyl-1,3-thiazole;3-fluoro-1-methylpyrrolidine;1-methylazetidine;1-methylimidazole;2-methyl-1H-imidazole;4-methylmorpholine;2-methyl-1,3-oxazole;1-methylpiperidine;2-methylpyridine;4-methylpyridine;1-methylpyrrolidine;2-methyl-1,3-thiazole;toluene;N,N,4-trimethylcyclohexan-1-amine;2,4,6-trimethylpyridine;1,3,3-trimethylpyrrolidine.

Molecular Properties

• Compound Name: 3,3-difluoro-1-methylpyrrolidine;1,3-dimethylazetidine;1,4-dimethylcyclohexane;1,2-dimethylimidazole;1,5-dimethylimidazole;1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrole;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;2,4-dimethyl-1,3-thiazole;3-fluoro-1-methylpyrrolidine;1-methylazetidine;1-methylimidazole;2-methyl-1H-imidazole;4-methylmorpholine;2-methyl-1,3-oxazole;1-methylpiperidine;2-methylpyridine;4-methylpyridine;1-methylpyrrolidine;2-methyl-1,3-thiazole;toluene;N,N,4-trimethylcyclohexan-1-amine;2,4,6-trimethylpyridine;1,3,3-trimethylpyrrolidine
• PubChem CID: 160631338
• Molecular Formula: C155H281F3N30O2S2
• Molecular Weight: 2718.29 g/mol
• Exact Mass: 2716.22
• IUPAC Name: 3,3-difluoro-1-methylpyrrolidine;1,3-dimethylazetidine;1,4-dimethylcyclohexane;1,2-dimethylimidazole;1,5-dimethylimidazole;1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrole;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;2,4-dimethyl-1,3-thiazole;3-fluoro-1-methylpyrrolidine;1-methylazetidine;1-methylimidazole;2-methyl-1H-imidazole;4-methylmorpholine;2-methyl-1,3-oxazole;1-methylpiperidine;2-methylpyridine;4-methylpyridine;1-methylpyrrolidine;2-methyl-1,3-thiazole;toluene;N,N,4-trimethylcyclohexan-1-amine;2,4,6-trimethylpyridine;1,3,3-trimethylpyrrolidine
• SMILES: CC1CCC(C)CC1.CC1CCC(N(C)C)CC1.CC1CCCN(C)C1.CC1CCCN1C.CC1CCN(C)C1.CC1CCN(C)CC1.CC1CN(C)C1.CN1CCC(C)(C)C1.CN1CCC(F)(F)C1.CN1CCC(F)C1.CN1CCC1.CN1CCCC1.CN1CCCCC1.CN1CCN(C)CC1.CN1CCOCC1.Cc1cc(C)nc(C)c1.Cc1ccccc1.Cc1ccccn1.Cc1ccn(C)c1.Cc1ccncc1.Cc1cncn1C.Cc1csc(C)n1.Cc1ncc[nH]1.Cc1nccn1C.Cc1ncco1.Cc1nccs1.Cn1ccnc1
• InChI: InChI=1S/C9H19N.C8H11N.C8H16.3C7H15N.C7H8.C6H14N2.C6H13N.C6H9N.C6H13N.C6H7N.C6H13N.C6H7N.C5H9F2N.C5H10FN.2C5H8N2.C5H11NO.C5H7NS.2C5H11N.2C4H6N2.C4H5NO.C4H5NS.C4H9N/c1-8-4-6-9(7-5-8)10(2)3;1-6-4-7(2)9-8(3)5-6;1-7-3-5-8(2)6-4-7;1-7(2)4-5-8(3)6-7;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-5-3-2-4-6-7;1-7-3-5-8(2)6-4-7;2*1-6-3-4-7(2)5-6;1-6-4-3-5-7(6)2;1-6-2-4-7-5-3-6;1-7-5-3-2-4-6-7;1-6-4-2-3-5-7-6;1-8-3-2-5(6,7)4-8;1-7-3-2-5(6)4-7;1-5-3-6-4-7(5)2;1-5-6-3-4-7(5)2;1-6-2-4-7-5-3-6;1-4-3-7-5(2)6-4;1-5-3-6(2)4-5;1-6-4-2-3-5-6;1-6-3-2-5-4-6;3*1-4-5-2-3-6-4;1-5-3-2-4-5/h8-9H,4-7H2,1-3H3;4-5H,1-3H3;7-8H,3-6H2,1-2H3;4-6H2,1-3H3;2*7H,3-6H2,1-2H3;2-6H,1H3;3-6H2,1-2H3;6H,3-5H2,1-2H3;3-5H,1-2H3;6H,3-5H2,1-2H3;2-5H,1H3;2-6H2,1H3;2-5H,1H3;2-4H2,1H3;5H,2-4H2,1H3;2*3-4H,1-2H3;2-5H2,1H3;3H,1-2H3;5H,3-4H2,1-2H3;2-5H2,1H3;2-4H,1H3;2-3H,1H3,(H,5,6);2*2-3H,1H3;2-4H2,1H3
• InChIKey: RHYQGNVSZVHQCN-UHFFFAOYSA-N
• XLogP: 30.10
• TPSA: 235.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 33
• Rotatable Bonds: 1
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2718.29
LogP ≤ 5	30.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-methylpyrrolidine;1,3-dimethylazetidine;1,4-dimethylcyclohexane;1,2-dimethylimidazole;1,5-dimethylimidazole;1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrole;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;2,4-dimethyl-1,3-thiazole;3-fluoro-1-methylpyrrolidine;1-methylazetidine;1-methylimidazole;2-methyl-1H-imidazole;4-methylmorpholine;2-methyl-1,3-oxazole;1-methylpiperidine;2-methylpyridine;4-methylpyridine;1-methylpyrrolidine;2-methyl-1,3-thiazole;toluene;N,N,4-trimethylcyclohexan-1-amine;2,4,6-trimethylpyridine;1,3,3-trimethylpyrrolidine?

The IUPAC name of 3,3-difluoro-1-methylpyrrolidine;1,3-dimethylazetidine;1,4-dimethylcyclohexane;1,2-dimethylimidazole;1,5-dimethylimidazole;1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrole;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;2,4-dimethyl-1,3-thiazole;3-fluoro-1-methylpyrrolidine;1-methylazetidine;1-methylimidazole;2-methyl-1H-imidazole;4-methylmorpholine;2-methyl-1,3-oxazole;1-methylpiperidine;2-methylpyridine;4-methylpyridine;1-methylpyrrolidine;2-methyl-1,3-thiazole;toluene;N,N,4-trimethylcyclohexan-1-amine;2,4,6-trimethylpyridine;1,3,3-trimethylpyrrolidine (CID 160631338) is 3,3-difluoro-1-methylpyrrolidine;1,3-dimethylazetidine;1,4-dimethylcyclohexane;1,2-dimethylimidazole;1,5-dimethylimidazole;1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrole;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;2,4-dimethyl-1,3-thiazole;3-fluoro-1-methylpyrrolidine;1-methylazetidine;1-methylimidazole;2-methyl-1H-imidazole;4-methylmorpholine;2-methyl-1,3-oxazole;1-methylpiperidine;2-methylpyridine;4-methylpyridine;1-methylpyrrolidine;2-methyl-1,3-thiazole;toluene;N,N,4-trimethylcyclohexan-1-amine;2,4,6-trimethylpyridine;1,3,3-trimethylpyrrolidine.

What is the SMILES notation for 3,3-difluoro-1-methylpyrrolidine;1,3-dimethylazetidine;1,4-dimethylcyclohexane;1,2-dimethylimidazole;1,5-dimethylimidazole;1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrole;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;2,4-dimethyl-1,3-thiazole;3-fluoro-1-methylpyrrolidine;1-methylazetidine;1-methylimidazole;2-methyl-1H-imidazole;4-methylmorpholine;2-methyl-1,3-oxazole;1-methylpiperidine;2-methylpyridine;4-methylpyridine;1-methylpyrrolidine;2-methyl-1,3-thiazole;toluene;N,N,4-trimethylcyclohexan-1-amine;2,4,6-trimethylpyridine;1,3,3-trimethylpyrrolidine?

The canonical SMILES for 3,3-difluoro-1-methylpyrrolidine;1,3-dimethylazetidine;1,4-dimethylcyclohexane;1,2-dimethylimidazole;1,5-dimethylimidazole;1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrole;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;2,4-dimethyl-1,3-thiazole;3-fluoro-1-methylpyrrolidine;1-methylazetidine;1-methylimidazole;2-methyl-1H-imidazole;4-methylmorpholine;2-methyl-1,3-oxazole;1-methylpiperidine;2-methylpyridine;4-methylpyridine;1-methylpyrrolidine;2-methyl-1,3-thiazole;toluene;N,N,4-trimethylcyclohexan-1-amine;2,4,6-trimethylpyridine;1,3,3-trimethylpyrrolidine is CC1CCC(C)CC1.CC1CCC(N(C)C)CC1.CC1CCCN(C)C1.CC1CCCN1C.CC1CCN(C)C1.CC1CCN(C)CC1.CC1CN(C)C1.CN1CCC(C)(C)C1.CN1CCC(F)(F)C1.CN1CCC(F)C1.CN1CCC1.CN1CCCC1.CN1CCCCC1.CN1CCN(C)CC1.CN1CCOCC1.Cc1cc(C)nc(C)c1.Cc1ccccc1.Cc1ccccn1.Cc1ccn(C)c1.Cc1ccncc1.Cc1cncn1C.Cc1csc(C)n1.Cc1ncc[nH]1.Cc1nccn1C.Cc1ncco1.Cc1nccs1.Cn1ccnc1.

What is the InChIKey of 3,3-difluoro-1-methylpyrrolidine;1,3-dimethylazetidine;1,4-dimethylcyclohexane;1,2-dimethylimidazole;1,5-dimethylimidazole;1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrole;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;2,4-dimethyl-1,3-thiazole;3-fluoro-1-methylpyrrolidine;1-methylazetidine;1-methylimidazole;2-methyl-1H-imidazole;4-methylmorpholine;2-methyl-1,3-oxazole;1-methylpiperidine;2-methylpyridine;4-methylpyridine;1-methylpyrrolidine;2-methyl-1,3-thiazole;toluene;N,N,4-trimethylcyclohexan-1-amine;2,4,6-trimethylpyridine;1,3,3-trimethylpyrrolidine?

The InChIKey is RHYQGNVSZVHQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.C8H11N.C8H16.3C7H15N.C7H8.C6H14N2.C6H13N.C6H9N.C6H13N.C6H7N.C6H13N.C6H7N.C5H9F2N.C5H10FN.2C5H8N2.C5H11NO.C5H7NS.2C5H11N.2C4H6N2.C4H5NO.C4H5NS.C4H9N/c1-8-4-6-9(7-5-8)10(2)3;1-6-4-7(2)9-8(3)5-6;1-7-3-5-8(2)6-4-7;1-7(2)4-5-8(3)6-7;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-5-3-2-4-6-7;1-7-3-5-8(2)6-4-7;2*1-6-3-4-7(2)5-6;1-6-4-3-5-7(6)2;1-6-2-4-7-5-3-6;1-7-5-3-2-4-6-7;1-6-4-2-3-5-7-6;1-8-3-2-5(6,7)4-8;1-7-3-2-5(6)4-7;1-5-3-6-4-7(5)2;1-5-6-3-4-7(5)2;1-6-2-4-7-5-3-6;1-4-3-7-5(2)6-4;1-5-3-6(2)4-5;1-6-4-2-3-5-6;1-6-3-2-5-4-6;3*1-4-5-2-3-6-4;1-5-3-2-4-5/h8-9H,4-7H2,1-3H3;4-5H,1-3H3;7-8H,3-6H2,1-2H3;4-6H2,1-3H3;2*7H,3-6H2,1-2H3;2-6H,1H3;3-6H2,1-2H3;6H,3-5H2,1-2H3;3-5H,1-2H3;6H,3-5H2,1-2H3;2-5H,1H3;2-6H2,1H3;2-5H,1H3;2-4H2,1H3;5H,2-4H2,1H3;2*3-4H,1-2H3;2-5H2,1H3;3H,1-2H3;5H,3-4H2,1-2H3;2-5H2,1H3;2-4H,1H3;2-3H,1H3,(H,5,6);2*2-3H,1H3;2-4H2,1H3.

What are the key properties of 3,3-difluoro-1-methylpyrrolidine;1,3-dimethylazetidine;1,4-dimethylcyclohexane;1,2-dimethylimidazole;1,5-dimethylimidazole;1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrole;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;2,4-dimethyl-1,3-thiazole;3-fluoro-1-methylpyrrolidine;1-methylazetidine;1-methylimidazole;2-methyl-1H-imidazole;4-methylmorpholine;2-methyl-1,3-oxazole;1-methylpiperidine;2-methylpyridine;4-methylpyridine;1-methylpyrrolidine;2-methyl-1,3-thiazole;toluene;N,N,4-trimethylcyclohexan-1-amine;2,4,6-trimethylpyridine;1,3,3-trimethylpyrrolidine?

3,3-difluoro-1-methylpyrrolidine;1,3-dimethylazetidine;1,4-dimethylcyclohexane;1,2-dimethylimidazole;1,5-dimethylimidazole;1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrole;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;2,4-dimethyl-1,3-thiazole;3-fluoro-1-methylpyrrolidine;1-methylazetidine;1-methylimidazole;2-methyl-1H-imidazole;4-methylmorpholine;2-methyl-1,3-oxazole;1-methylpiperidine;2-methylpyridine;4-methylpyridine;1-methylpyrrolidine;2-methyl-1,3-thiazole;toluene;N,N,4-trimethylcyclohexan-1-amine;2,4,6-trimethylpyridine;1,3,3-trimethylpyrrolidine has a molecular weight of 2718.29 g/mol, XLogP of 30.10, 1 rotatable bonds, 1 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 3,3-difluoro-1-methylpyrrolidine;1,3-dimethylazetidine;1,4-dimethylcyclohexane;1,2-dimethylimidazole;1,5-dimethylimidazole;1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrole;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;2,4-dimethyl-1,3-thiazole;3-fluoro-1-methylpyrrolidine;1-methylazetidine;1-methylimidazole;2-methyl-1H-imidazole;4-methylmorpholine;2-methyl-1,3-oxazole;1-methylpiperidine;2-methylpyridine;4-methylpyridine;1-methylpyrrolidine;2-methyl-1,3-thiazole;toluene;N,N,4-trimethylcyclohexan-1-amine;2,4,6-trimethylpyridine;1,3,3-trimethylpyrrolidine is sourced from PubChem (CID 160631338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).